A4. What if I want to link to my hardware-optimized BLAS and LAPACK libraries to improve the performance of CASINO?

Use the install script to create a new CASINO_ARCH. If you choose to edit the compiler options when prompted, you will be offered the choice of enabling external BLAS and LAPACK libraries (as opposed to compiling the BLAS and LAPACK source code included in the CASINO distribution). You will need to provide the linker flags required to link to these libraries (this depends on your setup, ask you system administrator or read your library’s documentation). For example, the Intel MKL is linked (at least in the Cambridge TCM group) by setting:

BLAS: -lmkl lguide -lpthread
LAPACK: -lmkl_lapack -lmkl -lguide -lpthread

NB: CASINO does not make particularly intensive use of linear algebra routines, so the improvements from doing this would normally be expected to be small. However, in favourable cases – and cases become more favourable as the system size increases – improvements of up to 20% have been observed. You should feel free to experiment; beware that doing this can make things slower as well..

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Category: A: Installing CASINO

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